Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128283e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.671640686457977e-12 | PASS |
| Energy [step 20] | -3.184094654954788e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -9.492850949754938e-12 | PASS |
| Multipoles [step 0] | -1.206901908614985e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.618719611236772e-06 | PASS |
| Multipoles [step 20] | -2.020306519279159e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.015933785517234e-07 | PASS |